Applied Computational Materials Modeling: Theory, Simulation and Experiment

AB Initio Modeling of Alloy Phase Equilibria Use of Computational Thermodynamics to Identify Potential Alloy Compositions for Metallic Glass Formation Structural and Electronic Properties from First - Principles Synergy between Material, Surface Science Experiments and Simulations Integration of First Principles Calculations, Calphad Modelling and Phase - Field Simulations Quantum Approximate Methods for the Atomistic Modeling of Multicomponent Alloys Molecular Orbital Approach to Alloy Design Application of Computational and Experimental Techniques in Intelligent Design of Age-Hardenable Aluminum Alloys Multiscale Modeling of Integranular Fracture in Metals Multiscale Modeling of Deformation and Fracture in Metallic Materials Frontiers in Surface Analysis: Experiments and Modeling The Evolution of Composition and Structure at Metal - Metal Interfaces: Measurement and Simulations Modeling of Low Enrichment Uranium Fuels for Research and Test Reactors